Compound Detail
CHEMBL457303
BROUSSONOL E Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL457303 |
| Name | BROUSSONOL E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQBROFAEMRVICP-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.01
ALogP
7
HBA
5
HBD
131.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.43
Ki 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maltase-glucoamylase CHEMBL2074 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 4.75 | 3700.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maltase-glucoamylase | Ki | = | 2300.0 | nM | 5.64 | Mixed type inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-... | 31927314 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of SARS-CoV His-tagged papain-like protease expressed in Escherichia ... | 32845145 |
| Unchecked | Ki | = | 5900.0 | nM | 5.23 | Non-competitive inhibition of SARS-CoV His-tagged papain-like protease expressed... | 32845145 |
| Unchecked | IC50 | = | 85890.0 | nM | 4.07 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using PNPG as substrate... | 31927314 |
| Tissue alpha-L-fucosidase | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated f... | 31927314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32845145 | 10.1021/acs.jmedchem.0c00626 | Unchecked | 2 |
| 11575957 | 10.1021/np010283o | A549 | 1 |
| 11575957 | 10.1021/np010283o | HCT-8 | 1 |
| 11575957 | 10.1021/np010283o | KB | 1 |
| - | 10.1007/s00044-011-9938-0 | Alpha-glucosidase MAL62 | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Maltase-glucoamylase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Unchecked | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Tissue alpha-L-fucosidase | 1 |
| 31927314 | 10.1016/j.ejmech.2020.112034 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine